(2R)-N-[2-cyclobutyl-3-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-4-yl]oxolane-2-carboxamide

Systemtic Name: (2R)-N-[2-cyclobutyl-3-methyl-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzimidazol-4-yl]oxolane-2-carboxamide Openeye Name: (2R)-N-[2-cyclobutyl-3-methyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-4-yl]tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-[2-cyclobutyl-3-methyl-6-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-benzimidazolyl]-2-oxolanecarboxamide IUPAC Name: (2R)-N-[2-cyclobutyl-3-methyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-4-yl]oxolane-2-carboxamide Traditional Name: (2R)-N-[2-cyclobutyl-3-methyl-6-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzimidazol-4-yl]tetrahydrofuran-2-carboxamide Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C5CCCO5)C6CCC6

Isomeric SMILES

CN1C(=NC2=C1C(=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)[C@H]5CCCO5)C6CCC6

InChI

InChI=1S/C27H32N6O3/c1-31-24-20(29-25(31)18-6-4-7-18)16-19(17-21(24)30-26(34)22-8-5-15-36-22)27(35)33-13-11-32(12-14-33)23-9-2-3-10-28-23/h2-3,9-10,16-18,22H,4-8,11-15H2,1H3,(H,30,34)/p+1/t22-/m1/s1